Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.46 |
| ▸ | CDYL2 | Q8N8U2 | 2/20 | 0.44 |
| ▸ | CDYL | Q9Y232 | 2/20 | 0.44 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 2/20 | 0.44 |
| ▸ | CBX7 | O95931 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13623996 | 0.85 | P2RX7 (0.45) | GRIN2BP2RX7MEN1KMT2ARAB9A | |
| SCHEMBL13624016 | 0.83 | P2RX7 (0.43) | GRIN2BP2RX7MEN1KMT2ANPC1 | |
| SCHEMBL13633239 | 0.78 | P2RX7 (0.48) | P2RX7 | |
| SCHEMBL13624010 | 0.77 | P2RX7 (0.39) | GRIN2BP2RX7MEN1KMT2A | |
| SCHEMBL10200297 | 0.75 | ALDH1A1 (0.42) | P2RX7KMT2ARAB9A | |
| SCHEMBL5961052 | 0.73 | KMT2A (0.45) | P2RX7MEN1KMT2A | |
| SCHEMBL13624015 | 0.72 | ALDH1A1 (0.36) | GRIN2BP2RX7KMT2A | |
| SCHEMBL13624018 | 0.72 | PIK3CD (0.45) | P2RX7RAB9A | |
| SCHEMBL8542566 | 0.71 | ROCK2 (0.62) | — | |
| SCHEMBL10506456 | 0.71 | ABCB1 (0.46) | GRIN2BMEN1KMT2AALOX15 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7622489-B2 | Kinesin spindle protein inhibitor; antiproliferative agents; anticancer agents; 4-(2,5-difluorophenyl)-N-3-fluoropyrrolidin-3-yl)-2-hydroxymethyl-2-phenyl-2,5-dihydro-1N-pyrrol-1-carboxamide | MERCK & CO., INC. (US) | 2009-11-24 | — | — | US | disclosed |